5-Nitroindazole

CAT: 0926-FN36705-01Size: 1 KgDry Ice: NoHazardous: No

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CAT#:0926-FN36705-01Size:1 Kg

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CAS Number

5401-94-5

MDL Number

MFCD00005693

Smiles

C1=CC2=C (C=C1[N+] (=O) [O-]) C=NN2

Molecular Formula

C7H5N3O2

Molecular Weight

163.13 g/mol

Controlled

Chemical Information

5-Nitroindazole

CAS Number	5401-94-5
PubChem CID	21501
IUPAC Name	5-nitro-1H-indazole
Molecular Formula	C7H5N3O2
Molecular Weight	163.13
XLogP	2
Topological Polar Surface Area	74.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	192

SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C=NN2

InChI

InChI=1S/C7H5N3O2/c11-10(12)6-1-2-7-5(3-6)4-8-9-7/h1-4H,(H,8,9)

InChIKey

WSGURAYTCUVDQL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5401-94-5

CID: 21501

Formula: C7H5N3O2

MW: 163.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	163.13
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	163.038176411
Monoisotopic Mass	163.038176411
Topological Polar Surface Area	74.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	192
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FN07841-01	5-Nitroindole
FM25738-01	2-Methyl-5-nitroimidazole
FB52340-01	5-Bromo-7-Nitroindole
FE56789-01	Ethyl 5-Nitroindole-2-Carboxylate
FA137923-01	3- (2-Aminoethyl) -5-nitroindole
ND07902-01	1- (5'-Deoxy-5'-fluoro-a-D-arabinofuranosyl) -2-nitroimidazole
FM76444-01	2-Methyl-5-nitroimidazole-1-propanol
FA31238-01	5-Amino-1-methyl-4-nitroimidazole
FC19985-01	5-Chloro-1-methyl-4-nitroimidazole
ND11336-01	2-Deoxy-1- (5'-O-DMT-b-D-ribofuranosyl) -5-nitroindole

Catalog	Name
15393521	5-Nitroindazole
N09280	5-Nitroindazole 97%
OR910594-01	1-Ethyl-5-nitroindazole
GTR19254421-01	5-Nitroindazole-3-carboxylic acid
285237-01	6-Nitroindazole
2360-50	7-Nitroindazole